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GPCR

NameC-C chemokine receptor type 3
SpeciesMacaca fascicularis (Crab-eating macaque)
GeneCCR3
SynonymC-C CKR-3
CC-CKR-3
CCR-3
CCR3
CKR3
DiseaseN/A for non-human GPCRs
Length355
Amino acid sequenceMTTSLDTVETFGPTSYDDDMGLLCEKADVGALIAQFVPPLYSLVFMVGLLGNVVVVMILIKYRRLRIMTNIYLLNLAISDLLFLFTLPFWIHYVRERNWVFSHGMCKVLSGFYHTGLYSEIFFIILLTIDRYLAIVHAVFALRARTVTFGVVTSIVTWGLAVLAALPEFIFYGTEELFPETLCSAIYPQDTVYSWRHFHTLRMTILCLALPLLVMAICYTGIIKTLLRCPSKKKYKAIRLIFVIMAVFFIFWTPYNVAILISTYQSILFGPDCERSKHLDLFVLVTEVIAYSHCWVNPVIYAFVGERFRKYLRHFFHRHVLMHPGKYIPFLPSEKLERTSSVSPSTAEPELSIVF
UniProtQ9BDS8
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL1075262
IUPHARN/A
DrugBankN/A

Ligand

NameUNII-PON9OFP69G
Molecular formulaC25H32FN7O2
IUPAC name1-[(2R,3S)-4-[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]-3-hydroxybutan-2-yl]-3-[3-(1-methyltetrazol-5-yl)phenyl]urea
Molecular weight481.576
Hydrogen bond acceptor7
Hydrogen bond donor3
XlogP2.9
SynonymsCHEMBL399495
PON9OFP69G
BMS-639623
Urea, N-((1R,2S)-3-((3S)-3-((4-fluorophenyl)methyl)-1-piperidinyl)-2-hydroxy-1-methylpropyl)-N'-(3-(1-methyl-1H-tetrazol-5-yl)phenyl)-
1-((2R,3S)-4-((S)-3-(4-fluorobenzyl)piperidin-1-yl)-3-hydroxybutan-2-yl)-3-(3-(1-methyl-1H-tetrazol-5-yl)phenyl)urea
[ Show all ]
Inchi KeyJTVSGNGYUGCQJP-FHJLPGHOSA-N
Inchi IDInChI=1S/C25H32FN7O2/c1-17(27-25(35)28-22-7-3-6-20(14-22)24-29-30-31-32(24)2)23(34)16-33-12-4-5-19(15-33)13-18-8-10-21(26)11-9-18/h3,6-11,14,17,19,23,34H,4-5,12-13,15-16H2,1-2H3,(H2,27,28,35)/t17-,19+,23+/m1/s1
PubChem CID10050884
ChEMBLCHEMBL399495
IUPHARN/A
BindingDB50231358
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Experimental Data

ParameterValueReferenceDatabase source
IC500.15 nMPMID18096386BindingDB,ChEMBL

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